(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide

C16H18N2O3S — CID 95893760

IUPAC(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1COCCO1
InChIInChI=1S/C16H18N2O3S/c1-18(16(19)14-10-20-7-8-21-14)9-13-11-22-15(17-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t14-/m0/s1
InChIKeyMCEDWOHUMXDXKH-AWEZNQCLSA-N
MW318.40 g/mol
LogP2.18
Rot. Bonds4

About (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide

(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide (PubChem CID 95893760) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide
PubChem CID95893760
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1COCCO1
InChIInChI=1S/C16H18N2O3S/c1-18(16(19)14-10-20-7-8-21-14)9-13-11-22-15(17-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t14-/m0/s1
InChIKeyMCEDWOHUMXDXKH-AWEZNQCLSA-N
XLogP2.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
CID 70777169
(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 96575284
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 95875737
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
(2S)-2-[benzyl-[(2S)-1,4-dioxane-2-carbonyl]amino]propanoic acid
CID 129468489
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119841640
(2R)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 94616250
(2S)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 94160529
N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 56882158
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70774862
N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 56888778
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 76932762

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide (CID 95893760) is (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide is CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1COCCO1.
What is the InChIKey of (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide?
The InChIKey is MCEDWOHUMXDXKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-18(16(19)14-10-20-7-8-21-14)9-13-11-22-15(17-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide?
(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95893760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).